CID 202677

13084-29-2

Structural Information

Molecular Formula
C9H8ClNS
SMILES
C1CSC(=N1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H8ClNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKey
CETOTCRSQNJNNS-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.00659 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.013866 138.3
[M+Na]+ 219.995808 148.5
[M-H]- 195.999314 144.3
[M+NH4]+ 215.040413 159.8
[M+K]+ 235.969748 143.8
[M+H-H2O]+ 180.003850 132.6
[M+HCOO]- 242.004791 152.8
[M+CH3COO]- 256.020441 152.2
[M+Na-2H]- 217.981256 140.8
[M]+ 197.00604142 140.2
[M]- 197.00713858 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe